SCHEMBL7364592

SCHEMBL7364592

CCC1CCN(C(=O)[C@@H](N)Cc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.56
DPP7 Q9UHL4 3/20 0.56
DPP8 Q6V1X1 2/20 0.56
DPP9 Q86TI2 2/20 0.56
FAP Q12884 1/20 0.52
TRPV1 Q8NER1 1/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
OPRD1 P41143 2/20 0.47
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
OPRK1 P41145 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7365105 0.99 DPP4 (0.55) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL7365110 0.99 DPP4 (0.55) DPP4DPP7DPP8DPP9FAP
SCHEMBL7365154 0.87 DPP4 (0.55) DPP4DPP7DPP8DPP9FAP
SCHEMBL7363744 0.84 OPRD1 (0.61) DPP4OPRD1OPRK1
SCHEMBL7361820 0.84 DPP4 (0.52) DPP4DPP7DPP8DPP9OPRD1
SCHEMBL7361154 0.81 AKT1 (0.49) DPP4OPRD1KMT2AOPRK1
SCHEMBL7440658 0.81 DPP4 (0.57) DPP4DPP7DPP8DPP9FAP
SCHEMBL13713047 0.76 SMN1; SMN2 (0.54) GAAALDH1A1LMNAHTTMEN1
SCHEMBL4796631 0.76 HDAC8 (0.71) DPP4DPP7DPP8DPP9FAP
SCHEMBL4771058 0.76 HDAC8 (0.71) DPP4DPP7DPP8DPP9FAP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 WO disclosed